N-cyclohexyl-6-methyl-2-oxo-2H-chromene-3-carboxamide | 1032692-08-2

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: N-cyclohexyl-6-methyl-2-oxo-2H-chromene-3-carboxamide
• 英文别名: N-cyclohexyl-6-methyl-2-oxo-2H-1-benzopyran-3-carboxamide；N-cyclohexyl-6-methyl-2-oxochromene-3-carboxamide
• CAS: 1032692-08-2
• 化学式: C₁₇H₁₉NO₃
• 分子量: 285.343
• InChiKey: MQYNGRQULVAEST-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  环己胺 、 6-methyl-2-oxo-2H-1-benzopyran-3-carboxylic acid chloride 在 吡啶 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以47%的产率得到N-cyclohexyl-6-methyl-2-oxo-2H-chromene-3-carboxamide
  参考文献：
  名称：

  Novel 3-Carboxamide-coumarins as Potent and Selective FXIIa Inhibitors

  摘要：

  Recently, FXIIa was highlighted as an original attractive target for the development of new anticoagulant drugs with low rates of therapy-related hemorrhages. In this work, we describe the development of a new series of 3-carboxamide-coumarins that are the first potent and selective nonpeptidic inhibitors of FXIIa.

  DOI：

  10.1021/jm8002697

文献信息

• An efficient three-component synthesis of coumarin-3-carbamides by use of Ni–NiO nanoparticles as magnetically separable catalyst
  作者：Nayim Sepay、Chayan Guha、Arpan Kool、Asok K. Mallik

  DOI：10.1039/c5ra13932e

  日期：——

  An efficient and ecofriendly synthesis of coumarin-3-carbamides has been developed by a three-component reaction of 2-hydroxybenzaldehydes, aliphatic amines (p-/s-) and diethyl malonate using Ni–NiO nanoparticles as catalyst.

  使用Ni-NiO纳米颗粒作为催化剂，通过2-羟基苯甲醛、脂肪胺（p-/s-）和二乙基丙二酸酯的三组分反应，开发了一种高效、环保的香豆素-3-氨基甲酰化合物的合成方法。
• Novel 3-Carboxamide-coumarins as Potent and Selective FXIIa Inhibitors
  作者：Séverine Robert、Carine Bertolla、Bernard Masereel、Jean-Michel Dogné、Lionel Pochet

  DOI：10.1021/jm8002697

  日期：2008.6.1

  Recently, FXIIa was highlighted as an original attractive target for the development of new anticoagulant drugs with low rates of therapy-related hemorrhages. In this work, we describe the development of a new series of 3-carboxamide-coumarins that are the first potent and selective nonpeptidic inhibitors of FXIIa.